Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | PLOD2 | O00469 | 3/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | PLOD3 | O60568 | 2/20 | 0.64 |
| ▸ | PLOD1 | Q02809 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | MPO | P05164 | 1/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.63 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10948430 | 0.86 | PLOD2 (0.83) | CYP3A4PLOD2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2008122 | 0.83 | CYP1A2 (0.64) | CYP3A4PLOD2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7977172 | 0.81 | CYP1A2 (0.52) | CYP3A4PLOD2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL200805 | 0.80 | PLOD2 (0.73) | CYP3A4PLOD2CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL7744265 | 0.78 | KDM4E (0.91) | CYP3A4PLOD2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3108729 | 0.78 | PLOD2 (0.64) | CYP3A4PLOD2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8053052 | 0.78 | PLOD2 (1.00) | CYP3A4PLOD2CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL12264083 | 0.77 | KDM4E (1.00) | CYP3A4PLOD2CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL16642160 | 0.77 | KDM4E (1.00) | CYP3A4PLOD2CYP1A2CYP2D6CYP2C19 | |
| Isoniazid SCHEMBL16642161 | 0.77 | KDM4E (1.00) | CYP3A4PLOD2CYP1A2CYP2D6CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8293899-B2 | Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates | LANXESS DEUTSCHLAND GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| EP-1340746-B1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | SALTIGO GMBH (DE) | 2007-02-28 | — | — | EP | disclosed |
| US-20030225274-A1 | Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives | LANXESS DEUTSCHLAND GMBH (DE) | 2003-12-04 | — | — | US | disclosed |
| EP-1340746-A1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | BAYER AG (DE) | 2003-09-03 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030225274-A1 | Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives | GRHPR, HPD, HAAO | CYP3A4 7/4885PLOD2 1169/4885CYP1A2 51/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.